Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
SMILES CC(C(=O)c1ccc(cc1)c1ccccc1)C
InChI Key FZSKUIANBTUIJW-UHFFFAOYSA-N
Molecular Formula C16H16O
Exact Mass 224.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZSKUIANBTUIJW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FZSKUIANBTUIJW-UHFFFAOYSA-N/CHMO0000595
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:43:16.576486
MetadataModified 2024-09-07T18:42:53.043438
MetadataPublished 2020-08-26
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6976-20-1 ACToR
62024 eMolecules
SCHEMBL2625198 SureChEMBL
J688.483K Nikkaji
DTXSID50282177 EPA CompTox Dashboard
ZINC000001615294 ZINC
230208 PubChem
The data in this table is sourced from UniChem at EBI.